#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd s ILE 2 N 0.00 3.30 0.58 1.34 -1.09 -1.26 -4.87 121.20 119.20 2pdd s ILE 2 Ca 0.00 0.42 -0.19 0.00 -2.23 0.00 0.00 60.65 58.65 2pdd s ILE 2 Cb 0.00 -3.08 -0.05 0.00 -1.58 0.00 0.00 42.46 37.75 2pdd s ILE 2 CO 0.00 -0.55 1.05 0.00 -1.23 0.00 0.00 174.94 174.21 2pdd n ALA 3 N -3.45 0.45 -1.52 9.38 0.00 -1.26 -4.94 120.51 119.17 2pdd n ALA 3 Ca 0.07 0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.22 2pdd n ALA 3 Cb 0.55 -2.16 0.05 0.00 0.00 0.00 0.00 19.45 17.89 2pdd n ALA 3 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2pdd s MET 4 N -2.75 2.73 -0.25 0.00 1.00 -1.26 -4.84 119.30 113.93 2pdd s MET 4 Ca 0.75 1.52 -0.04 0.00 0.00 0.00 0.00 55.69 57.92 2pdd s MET 4 Cb -0.43 -1.93 -0.11 0.00 0.00 0.00 0.00 34.83 32.36 2pdd s MET 4 CO 0.48 -1.33 2.07 -0.35 0.00 0.00 0.00 175.02 175.89 2pdd n PRO 5 N -2.31 1.28 0.00 2.03 -0.04 -1.26 -2.44 135.00 132.26 2pdd n PRO 5 Ca 0.11 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 2pdd n PRO 5 Cb 0.51 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2pdd n PRO 5 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2pdd n SER 6 N 3.20 0.00 -0.02 3.54 7.64 -1.26 -4.95 113.62 121.76 2pdd n SER 6 Ca 0.27 -0.56 -0.01 0.00 1.01 0.00 0.00 58.87 59.58 2pdd n SER 6 Cb 0.36 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2pdd n SER 6 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2pdd h VAL 7 N 0.56 0.00 -0.73 0.44 2.07 -1.84 -3.32 116.25 113.43 2pdd h VAL 7 Ca 0.00 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.24 2pdd h VAL 7 Cb 0.28 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.00 2pdd h VAL 7 CO 0.00 0.00 0.48 -0.09 0.02 0.00 0.00 177.57 177.98 2pdd h ARG 8 N -0.35 0.69 -0.44 1.57 2.43 -1.96 -1.92 114.38 114.40 2pdd h ARG 8 Ca 0.00 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 2pdd h ARG 8 Cb 0.15 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 2pdd h ARG 8 CO 0.00 0.45 0.10 0.87 -1.51 0.00 0.00 179.97 179.89 2pdd h LYS 9 N 0.71 0.24 -0.53 0.20 1.79 -1.91 -0.70 116.57 116.37 2pdd h LYS 9 Ca 0.32 -0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.86 2pdd h LYS 9 Cb 0.34 -0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.87 2pdd h LYS 9 CO -0.11 0.16 0.14 -0.92 -1.08 0.00 0.00 179.45 177.63 2pdd h TYR 10 N 0.24 0.23 -0.62 -1.35 3.20 -1.45 -0.48 116.97 116.75 2pdd h TYR 10 Ca 0.21 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.22 2pdd h TYR 10 Cb 0.25 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.42 2pdd h TYR 10 CO -0.20 0.03 0.17 0.00 -1.64 0.00 0.00 178.16 176.52 2pdd h ALA 11 N 1.39 0.76 -0.59 1.82 0.00 -1.05 -0.53 119.26 121.07 2pdd h ALA 11 Ca 0.26 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.31 2pdd h ALA 11 Cb 0.34 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2pdd h ALA 11 CO -0.31 -0.28 0.38 0.00 0.00 0.00 0.00 179.25 179.04 2pdd h ARG 12 N 0.31 0.74 -0.78 0.00 3.08 -0.19 1.24 114.38 118.78 2pdd h ARG 12 Ca 0.33 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.40 2pdd h ARG 12 Cb 0.47 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 2pdd h ARG 12 CO -0.39 0.49 0.46 0.93 -1.07 0.00 0.00 179.97 180.39 2pdd h GLU 13 N 0.76 0.81 0.00 0.04 5.08 -0.13 -1.19 114.58 119.95 2pdd h GLU 13 Ca 0.22 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2pdd h GLU 13 Cb -0.05 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.02 2pdd h GLU 13 CO -0.07 0.53 -0.47 1.63 -1.00 0.00 0.00 179.01 179.63 2pdd n LYS 14 N -4.70 0.23 -1.83 2.33 4.76 -0.68 -4.98 118.16 113.28 2pdd n LYS 14 Ca 0.11 0.09 -0.01 0.00 -2.87 0.00 0.00 58.31 55.63 2pdd n LYS 14 Cb 0.19 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 2pdd n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pdd n GLY 15 N 1.36 -0.28 2.84 0.72 0.00 0.41 -5.08 105.19 105.17 2pdd n GLY 15 Ca 0.04 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 2pdd n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pdd s VAL 16 N -3.02 0.24 -0.46 1.61 1.01 -0.22 -4.99 120.40 114.58 2pdd s VAL 16 Ca 0.02 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 2pdd s VAL 16 Cb -0.00 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.08 2pdd s VAL 16 CO 0.15 0.15 1.29 -0.62 0.00 0.00 0.00 175.10 176.08 2pdd s ASP 17 N 0.92 6.44 0.32 3.32 -1.08 -1.26 -4.52 116.67 120.81 2pdd s ASP 17 Ca -0.10 0.61 0.10 0.00 -0.52 0.00 0.00 52.55 52.64 2pdd s ASP 17 Cb -0.13 -2.54 0.94 0.00 -1.46 0.00 0.00 42.92 39.73 2pdd s ASP 17 CO -0.01 -1.39 1.65 -0.29 0.52 0.00 0.00 175.17 175.65 2pdd h ILE 18 N 6.36 0.28 0.03 4.11 6.09 -1.96 -0.73 117.51 131.69 2pdd h ILE 18 Ca -0.26 -0.09 0.02 0.00 -1.37 0.00 0.00 64.86 63.17 2pdd h ILE 18 Cb 1.08 0.00 -0.03 0.00 0.47 0.00 0.00 36.82 38.35 2pdd h ILE 18 CO 1.11 0.05 -0.17 -0.09 -3.07 0.00 0.00 178.15 175.98 2pdd h ARG 19 N 0.26 -0.29 -0.36 2.19 2.43 -1.92 -2.43 114.38 114.27 2pdd h ARG 19 Ca 0.67 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.94 2pdd h ARG 19 Cb 1.46 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.06 2pdd h ARG 19 CO -0.64 -0.19 0.25 -0.07 -1.51 0.00 0.00 179.97 177.81 2pdd h LEU 20 N -0.30 0.11 -9.86 3.80 3.38 -1.54 -3.43 115.31 107.48 2pdd h LEU 20 Ca 0.05 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.46 2pdd h LEU 20 Cb 0.35 -0.02 0.12 0.00 0.09 0.00 0.00 40.66 41.20 2pdd h LEU 20 CO -0.14 0.07 0.56 0.52 0.09 0.00 0.00 178.44 179.54 2pdd n VAL 21 N -4.46 2.44 -3.42 1.22 0.31 -0.91 -4.97 118.33 108.54 2pdd n VAL 21 Ca 0.05 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.61 2pdd n VAL 21 Cb 0.35 -1.66 -0.10 0.00 -0.91 0.00 0.00 33.84 31.52 2pdd n VAL 21 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2pdd n GLN 22 N 0.13 0.58 0.00 5.55 7.27 -1.26 -4.58 117.38 125.06 2pdd n GLN 22 Ca 0.05 -3.40 0.00 0.00 0.07 0.00 0.00 57.00 53.72 2pdd n GLN 22 Cb 0.39 -1.68 0.00 0.00 2.41 0.00 0.00 30.24 31.36 2pdd n GLN 22 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pdd n GLY 23 N 2.38 0.41 0.09 1.69 0.00 -1.26 -4.96 105.19 103.53 2pdd n GLY 23 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 2pdd n GLY 23 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pdd h THR 24 N 0.00 1.60 -1.91 2.61 1.35 -1.95 -3.45 112.91 111.17 2pdd h THR 24 Ca 0.00 -2.08 -0.16 0.00 -0.55 0.00 0.00 66.41 63.62 2pdd h THR 24 Cb 0.00 2.94 -0.30 0.00 -1.73 0.00 0.00 68.15 69.06 2pdd h THR 24 CO 0.00 0.56 -0.49 -0.83 -0.25 0.00 0.00 175.52 174.51 2pdd s GLY 25 N -4.01 -0.40 -0.70 5.82 0.00 -1.25 -5.03 107.32 101.74 2pdd s GLY 25 Ca -0.16 0.83 -0.07 0.00 0.00 0.00 0.00 44.72 45.32 2pdd s GLY 25 CO 0.74 2.67 2.78 0.58 0.00 0.00 0.00 173.10 179.87 2pdd n LYS 26 N 5.36 2.34 0.00 2.90 2.85 -1.26 -2.64 118.16 127.71 2pdd n LYS 26 Ca -0.03 -1.37 0.00 0.00 -1.05 0.00 0.00 58.31 55.85 2pdd n LYS 26 Cb 0.50 -2.30 0.00 0.00 -0.65 0.00 0.00 35.03 32.58 2pdd n LYS 26 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2pdd n ASN 27 N 3.27 0.00 0.00 -5.58 0.23 -1.26 -4.95 115.26 106.98 2pdd n ASN 27 Ca 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.55 2pdd n ASN 27 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 2pdd n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pdd n GLY 28 N 0.00 -0.27 2.00 4.83 0.00 -1.26 -0.90 105.19 109.59 2pdd n GLY 28 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2pdd n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pdd n ARG 29 N -1.23 2.80 -2.85 1.61 5.12 -1.26 -4.56 116.66 116.28 2pdd n ARG 29 Ca 0.00 -3.55 -0.35 0.00 -1.93 0.00 0.00 57.85 52.03 2pdd n ARG 29 Cb 0.14 -2.19 -0.07 0.00 -1.16 0.00 0.00 32.46 29.19 2pdd n ARG 29 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2pdd s VAL 30 N -4.34 4.36 0.53 1.55 1.01 -0.08 -3.77 120.40 119.66 2pdd s VAL 30 Ca 0.56 1.56 0.06 0.00 0.00 0.00 0.00 61.98 64.16 2pdd s VAL 30 Cb 0.46 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 33.09 2pdd s VAL 30 CO 0.02 -0.09 0.41 -0.76 0.00 0.00 0.00 175.10 174.67 2pdd s LEU 31 N -2.64 2.80 -0.07 3.92 1.02 -1.26 -4.97 118.68 117.49 2pdd s LEU 31 Ca 0.55 -1.18 -0.26 0.00 0.02 0.00 0.00 54.13 53.27 2pdd s LEU 31 Cb -0.13 -1.30 -0.23 0.00 0.02 0.00 0.00 46.19 44.54 2pdd s LEU 31 CO 0.18 -1.05 1.02 0.50 0.02 0.00 0.00 176.35 177.02 2pdd h LYS 32 N 0.79 0.09 0.00 1.70 3.11 -1.97 -2.88 116.57 117.40 2pdd h LYS 32 Ca -0.37 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 2pdd h LYS 32 Cb 1.30 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.55 2pdd h LYS 32 CO 0.57 0.84 0.00 0.39 -2.81 0.00 0.00 179.45 178.44 2pdd n GLU 33 N -4.61 0.12 0.09 1.90 -0.58 -1.26 -2.26 120.64 114.04 2pdd n GLU 33 Ca -0.09 0.20 -0.12 0.00 -0.42 0.00 0.00 57.16 56.72 2pdd n GLU 33 Cb 0.44 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.73 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2pdd h ASP 34 N 0.00 -0.22 0.62 1.62 1.82 -1.83 -2.98 116.42 115.45 2pdd h ASP 34 Ca 0.00 -0.30 -0.13 0.00 -0.39 0.00 0.00 57.03 56.21 2pdd h ASP 34 Cb 0.07 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 2pdd h ASP 34 CO 0.00 0.23 -0.62 0.40 -1.61 0.00 0.00 179.24 177.64 2pdd h ILE 35 N -0.74 1.45 -0.95 2.25 2.04 -1.21 -2.97 117.51 117.38 2pdd h ILE 35 Ca -0.03 -2.14 0.10 0.00 1.00 0.00 0.00 64.86 63.80 2pdd h ILE 35 Cb 0.50 2.15 -0.08 0.00 -0.74 0.00 0.00 36.82 38.66 2pdd h ILE 35 CO 0.04 0.61 0.59 0.44 0.00 0.00 0.00 178.15 179.84 2pdd h ASP 36 N 0.00 0.89 0.00 1.72 5.19 -1.53 0.57 116.42 123.27 2pdd h ASP 36 Ca -0.01 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.33 2pdd h ASP 36 Cb 1.10 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.46 2pdd h ASP 36 CO 0.08 0.51 -0.35 0.00 -3.12 0.00 0.00 179.24 176.36 2pdd h ALA 37 N 1.49 0.98 -0.04 3.45 0.00 -1.36 -2.01 119.26 121.77 2pdd h ALA 37 Ca 0.45 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pdd h ALA 37 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2pdd h ALA 37 CO -0.24 0.61 -0.04 0.35 0.00 0.00 0.00 179.25 179.93 2pdd h PHE 38 N 0.40 -0.13 0.27 0.00 3.57 -0.79 -2.72 116.94 117.55 2pdd h PHE 38 Ca 0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2pdd h PHE 38 Cb 0.81 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2pdd h PHE 38 CO 0.03 -0.03 -0.13 1.25 -2.23 0.00 0.00 178.31 177.19 2pdd h LEU 39 N -0.02 -0.31 0.00 0.59 5.85 -1.62 -3.41 115.31 116.39 2pdd h LEU 39 Ca 0.01 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2pdd h LEU 39 Cb 0.04 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2pdd h LEU 39 CO -0.05 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.09 2pdd n ALA 40 N -2.44 0.00 0.00 1.25 0.00 -0.76 -5.02 120.51 113.55 2pdd n ALA 40 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2pdd n ALA 40 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2pdd n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pdd n GLY 41 N 0.00 0.00 0.03 0.00 0.00 -1.04 -4.99 105.19 99.19 2pdd n GLY 41 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2pdd n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pdd h GLY 42 N 0.00 -0.05 0.00 -0.02 0.00 -1.90 -3.52 103.07 97.58 2pdd h GLY 42 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2pdd h GLY 42 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.52